SCHEMBL5162471

SCHEMBL5162471

C#Cc1ccc2cc(OC(=O)O)sc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
DYRK1A Q13627 1/20 0.32
FFAR1 O14842 1/20 0.32
FABP7 O15540 1/20 0.32
FABP5 Q01469 1/20 0.32
CA2 P00918 3/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5235461 0.84 DYRK1A (0.42) DYRK1ACA2CA1
SCHEMBL5159784 0.84 DRD2 (0.41) DRD2DRD4DRD3TRPV1HDAC6
SCHEMBL4950678 0.78 BCL2L1 (0.54) DRD2DRD4DRD3HDAC6HDAC1
SCHEMBL5202024 0.76 RAB9A (0.39) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5202623 0.76 CA2 (0.47) HDAC6CA2CA1CA4
SCHEMBL5238184 0.76 KMT2A (0.41) HDAC1DYRK1ACA2
SCHEMBL5230199 0.73 CA2 (0.51) HDAC6DYRK1ACA2
SCHEMBL2761209 0.73 BCL2L1 (0.56) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL4947829 0.73 HDAC1 (0.52) DRD2DRD4DRD3HDAC6HDAC1
SCHEMBL5046977 0.71 GPR35 (0.33)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761524-B1 PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS SANOL ARZNEI SCHWARZ GMBH (DE) 2007-11-21 EP disclosed
EP-1761524-A1 PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS SCHWARZ PHARMA AG (DE) 2007-03-14 EP disclosed
WO-2006072430-A1 PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS SCHWARZ PHARMA AG (DE) 2006-07-13 WO disclosed